About 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 159020276) has the molecular formula C154H96O20S5
and a molecular weight of 2426.78 g/mol. Its IUPAC name is 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.
Frequently Asked Questions
What is the IUPAC name of 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 159020276) is 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is O=S(=O)(c1ccccc1)c1cc2c(c3ccccc13)Oc1ccc3ccccc3c1O2.O=S(=O)(c1ccccc1)c1ccc(-c2cc3c(c4ccccc24)Oc2c(ccc4ccccc24)O3)cc1.O=S(=O)(c1ccccc1)c1ccc(-c2cc3c(c4ccccc24)Oc2ccc4ccccc4c2O3)cc1.O=S(=O)(c1ccccc1)c1cccc(-c2cc3c(c4ccccc24)Oc2c(ccc4ccccc24)O3)c1.O=S(=O)(c1ccccc1)c1cccc(-c2cc3c(c4ccccc24)Oc2ccc4ccccc4c2O3)c1.
What is the InChIKey of 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The InChIKey is JTPIVNGYPOYCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H20O4S.C26H16O4S/c33-37(34,23-11-2-1-3-12-23)24-13-8-10-22(19-24)28-20-30-32(27-16-7-6-15-26(27)28)35-29-18-17-21-9-4-5-14-25(21)31(29)36-30;33-37(34,23-11-2-1-3-12-23)24-13-8-10-22(19-24)28-20-30-32(27-16-7-6-15-26(27)28)36-31-25-14-5-4-9-21(25)17-18-29(31)35-30;33-37(34,23-9-2-1-3-10-23)24-17-14-22(15-18-24)28-20-30-32(27-13-7-6-12-26(27)28)35-29-19-16-21-8-4-5-11-25(21)31(29)36-30;33-37(34,23-9-2-1-3-10-23)24-17-14-22(15-18-24)28-20-30-32(27-13-7-6-12-26(27)28)36-31-25-11-5-4-8-21(25)16-19-29(31)35-30;27-31(28,18-9-2-1-3-10-18)24-16-23-26(21-13-7-6-12-20(21)24)29-22-15-14-17-8-4-5-11-19(17)25(22)30-23/h4*1-20H;1-16H.
What are the key properties of 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 2426.78 g/mol, XLogP of 40.29, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzenesulfonyl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[3-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene;10-[4-(benzenesulfonyl)phenyl]-2,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 159020276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).