bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene

C177H230O61S9-8 — CID 165108157

IUPACbis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(C)O.CC(C)(C)O.CC(C)(O)C12CC3CC(C1)C(C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)C(C3)C2.CC(C)(O)C12CC3CC(CC(C(=O)Oc4ccc(S(=O)(=O)[O-])cc4)(C3)C1)C2.CC(C)(O)C1C2CC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2OC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2SC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1CC(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2)C2CC1C(=O)O2.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C20H26O6S.C19H22O9S.C18H20O10S.C18H20O9S2.C18H22O9S.C14H10.C10H8.2C8H8O5S.2C4H10O.8C2H6/c1-18(2,22)20-10-13-7-14(11-20)9-19(8-13,12-20)17(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)20-9-12-7-13(10-20)17(14(8-12)11-20)18(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)15-12-7-11-14(15)18(21)28-17(11)16(12)26-8-13(20)27-9-3-5-10(6-4-9)29(23,24)25;1-18(2,21)12-11-13-16(28-17(11)20)15(14(12)27-13)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)12-11-15-14(27-17(11)20)13(16(12)28-15)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)13-8-14(15-7-12(13)17(20)27-15)25-9-16(19)26-10-3-5-11(6-4-10)28(22,23)24;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;2*1-4(2,3)5;8*1-2/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,24,25);3-6,12-14,17,22H,7-11H2,1-2H3,(H,23,24,25);3-6,11-12,14-17,22H,7-8H2,1-2H3,(H,23,24,25);2*3-6,11-16,21H,7H2,1-2H3,(H,22,23,24);3-6,12-15,21H,7-9H2,1-2H3,(H,22,23,24);1-10H;1-8H;2*2-5H,1H3,(H,10,11,12);2*5H,1-3H3;8*1-2H3/p-8
InChIKeyZMOJQNINNRTXIO-UHFFFAOYSA-F
MW3622.33 g/mol
LogP24.15
Rot. Bonds36

About bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene

bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene (PubChem CID 165108157) has the molecular formula C177H230O61S9-8 and a molecular weight of 3622.33 g/mol. Its IUPAC name is bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene.

Molecular Properties

Compound Namebis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene
PubChem CID165108157
Molecular FormulaC177H230O61S9-8
Molecular Weight3622.33 g/mol
Exact Mass3619.24
IUPAC Namebis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(C)O.CC(C)(C)O.CC(C)(O)C12CC3CC(C1)C(C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)C(C3)C2.CC(C)(O)C12CC3CC(CC(C(=O)Oc4ccc(S(=O)(=O)[O-])cc4)(C3)C1)C2.CC(C)(O)C1C2CC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2OC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2SC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1CC(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2)C2CC1C(=O)O2.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C20H26O6S.C19H22O9S.C18H20O10S.C18H20O9S2.C18H22O9S.C14H10.C10H8.2C8H8O5S.2C4H10O.8C2H6/c1-18(2,22)20-10-13-7-14(11-20)9-19(8-13,12-20)17(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)20-9-12-7-13(10-20)17(14(8-12)11-20)18(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)15-12-7-11-14(15)18(21)28-17(11)16(12)26-8-13(20)27-9-3-5-10(6-4-9)29(23,24)25;1-18(2,21)12-11-13-16(28-17(11)20)15(14(12)27-13)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)12-11-15-14(27-17(11)20)13(16(12)28-15)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)13-8-14(15-7-12(13)17(20)27-15)25-9-16(19)26-10-3-5-11(6-4-10)28(22,23)24;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;2*1-4(2,3)5;8*1-2/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,24,25);3-6,12-14,17,22H,7-11H2,1-2H3,(H,23,24,25);3-6,11-12,14-17,22H,7-8H2,1-2H3,(H,23,24,25);2*3-6,11-16,21H,7H2,1-2H3,(H,22,23,24);3-6,12-15,21H,7-9H2,1-2H3,(H,22,23,24);1-10H;1-8H;2*2-5H,1H3,(H,10,11,12);2*5H,1-3H3;8*1-2H3/p-8
InChIKeyZMOJQNINNRTXIO-UHFFFAOYSA-F
XLogP24.15
TPSA981.19 Ų
H-Bond Donors8
H-Bond Acceptors62
Rotatable Bonds36
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003622.33
LogP ≤ 524.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1062

Analyze bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene?
The IUPAC name of bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene (CID 165108157) is bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene.
What is the SMILES notation for bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene?
The canonical SMILES for bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(C)O.CC(C)(C)O.CC(C)(O)C12CC3CC(C1)C(C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)C(C3)C2.CC(C)(O)C12CC3CC(CC(C(=O)Oc4ccc(S(=O)(=O)[O-])cc4)(C3)C1)C2.CC(C)(O)C1C2CC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2OC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1C2SC3C(OC(=O)C31)C2OCC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(C)(O)C1CC(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2)C2CC1C(=O)O2.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene?
The InChIKey is ZMOJQNINNRTXIO-UHFFFAOYSA-F. The full InChI is InChI=1S/2C20H26O6S.C19H22O9S.C18H20O10S.C18H20O9S2.C18H22O9S.C14H10.C10H8.2C8H8O5S.2C4H10O.8C2H6/c1-18(2,22)20-10-13-7-14(11-20)9-19(8-13,12-20)17(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)20-9-12-7-13(10-20)17(14(8-12)11-20)18(21)26-15-3-5-16(6-4-15)27(23,24)25;1-19(2,22)15-12-7-11-14(15)18(21)28-17(11)16(12)26-8-13(20)27-9-3-5-10(6-4-9)29(23,24)25;1-18(2,21)12-11-13-16(28-17(11)20)15(14(12)27-13)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)12-11-15-14(27-17(11)20)13(16(12)28-15)25-7-10(19)26-8-3-5-9(6-4-8)29(22,23)24;1-18(2,21)13-8-14(15-7-12(13)17(20)27-15)25-9-16(19)26-10-3-5-11(6-4-10)28(22,23)24;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;2*1-4(2,3)5;8*1-2/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,24,25);3-6,12-14,17,22H,7-11H2,1-2H3,(H,23,24,25);3-6,11-12,14-17,22H,7-8H2,1-2H3,(H,23,24,25);2*3-6,11-16,21H,7H2,1-2H3,(H,22,23,24);3-6,12-15,21H,7-9H2,1-2H3,(H,22,23,24);1-10H;1-8H;2*2-5H,1H3,(H,10,11,12);2*5H,1-3H3;8*1-2H3/p-8.
What are the key properties of bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene?
bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene has a molecular weight of 3622.33 g/mol, XLogP of 24.15, 36 rotatable bonds, 8 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-acetyloxybenzenesulfonate);anthracene;ethane;4-[3-(2-hydroxypropan-2-yl)adamantane-1-carbonyl]oxybenzenesulfonate;4-[5-(2-hydroxypropan-2-yl)adamantane-2-carbonyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[2-(2-hydroxypropan-2-yl)-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;4-[2-[[9-(2-hydroxypropan-2-yl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]acetyl]oxybenzenesulfonate;bis(2-methylpropan-2-ol);naphthalene is sourced from PubChem (CID 165108157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).