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4-(6-methoxy-8-oxidanylidene-nonyl)sulfanylbenzoic acid

4-(6-methoxy-8-oxidanylidene-nonyl)sulfanylbenzoic acid

Systemtic Name:4-(6-methoxy-8-oxidanylidene-nonyl)sulfanylbenzoic acid
Openeye Name:4-(6-methoxy-8-oxo-nonyl)sulfanylbenzoic acid
CAS Name:4-[(6-methoxy-8-oxononyl)thio]benzoic acid
IUPAC Name:4-(6-methoxy-8-oxononyl)sulfanylbenzoic acid
Traditional Name:4-[(8-keto-6-methoxy-nonyl)thio]benzoic acid
Formula: C17H24O4S
MolecularWeight: 324.43506
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCCSC1=CC=C(C=C1)C(=O)O)OC


Isomeric SMILES

CC(=O)CC(CCCCCSC1=CC=C(C=C1)C(=O)O)OC


InChI

InChI=1S/C17H24O4S/c1-13(18)12-15(21-2)6-4-3-5-11-22-16-9-7-14(8-10-16)17(19)20/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)


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