(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid

C9H14O3S — CID 89217483

IUPAC(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
SMILESC/C=C\C=C/C=C\C(C)S(=O)(=O)O
InChIInChI=1S/C9H14O3S/c1-3-4-5-6-7-8-9(2)13(10,11)12/h3-9H,1-2H3,(H,10,11,12)/b4-3-,6-5-,8-7-
InChIKeyNJPBHFCAEZQSPF-QMGPHSPGSA-N
MW202.28 g/mol
LogP1.95
Rot. Bonds4

About (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid

(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid (PubChem CID 89217483) has the molecular formula C9H14O3S and a molecular weight of 202.28 g/mol. Its IUPAC name is (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid.

Molecular Properties

Compound Name(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
PubChem CID89217483
Molecular FormulaC9H14O3S
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
SMILESC/C=C\C=C/C=C\C(C)S(=O)(=O)O
InChIInChI=1S/C9H14O3S/c1-3-4-5-6-7-8-9(2)13(10,11)12/h3-9H,1-2H3,(H,10,11,12)/b4-3-,6-5-,8-7-
InChIKeyNJPBHFCAEZQSPF-QMGPHSPGSA-N
XLogP1.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid?
The IUPAC name of (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid (CID 89217483) is (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid.
What is the SMILES notation for (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid?
The canonical SMILES for (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid is C/C=C\C=C/C=C\C(C)S(=O)(=O)O.
What is the InChIKey of (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid?
The InChIKey is NJPBHFCAEZQSPF-QMGPHSPGSA-N. The full InChI is InChI=1S/C9H14O3S/c1-3-4-5-6-7-8-9(2)13(10,11)12/h3-9H,1-2H3,(H,10,11,12)/b4-3-,6-5-,8-7-.
What are the key properties of (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid?
(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid has a molecular weight of 202.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid is sourced from PubChem (CID 89217483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).