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3,4-bis[1-(3-methylcyclopentyl)sulfanylpropyl]phthalic acid

3,4-bis[1-(3-methylcyclopentyl)sulfanylpropyl]phthalic acid

Systemtic Name:3,4-bis[1-(3-methylcyclopentyl)sulfanylpropyl]phthalic acid
Openeye Name:3,4-bis[1-(3-methylcyclopentyl)sulfanylpropyl]phthalic acid
CAS Name:3,4-bis[1-[(3-methylcyclopentyl)thio]propyl]phthalic acid
IUPAC Name:3,4-bis[1-(3-methylcyclopentyl)sulfanylpropyl]phthalic acid
Traditional Name:3,4-bis[1-[(3-methylcyclopentyl)thio]propyl]phthalic acid
Formula: C26H38O4S2
MolecularWeight: 478.70752
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SC2CCC(C2)C)SC3CCC(C3)C


Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SC2CCC(C2)C)SC3CCC(C3)C


InChI

InChI=1S/C26H38O4S2/c1-5-21(31-17-9-7-15(3)13-17)19-11-12-20(25(27)28)24(26(29)30)23(19)22(6-2)32-18-10-8-16(4)14-18/h11-12,15-18,21-22H,5-10,13-14H2,1-4H3,(H,27,28)(H,29,30)


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