3,4-bis(2-pentylnonyl)benzene-1,2-disulfonic acid

Systemtic Name: 3,4-bis(2-pentylnonyl)benzene-1,2-disulfonic acid Openeye Name: 3,4-bis(2-pentylnonyl)benzene-1,2-disulfonic acid CAS Name: 3,4-bis(2-pentylnonyl)benzene-1,2-disulfonic acid IUPAC Name: 3,4-bis(2-pentylnonyl)benzene-1,2-disulfonic acid Traditional Name: 3,4-bis(2-amylnonyl)benzene-1,2-disulfonic acid Formula: C34H62O6S2 MolecularWeight: 630.98248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CCCCC)CCCCCCC

Isomeric SMILES

CCCCCCCC(CCCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CCCCC)CCCCCCC

InChI

InChI=1S/C34H62O6S2/c1-5-9-13-15-19-23-29(21-17-11-7-3)27-31-25-26-33(41(35,36)37)34(42(38,39)40)32(31)28-30(22-18-12-8-4)24-20-16-14-10-6-2/h25-26,29-30H,5-24,27-28H2,1-4H3,(H,35,36,37)(H,38,39,40)