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

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

Systemtic Name:3,4-bis(2-butyloctyl)benzene-1,2-disulfonic acid
Openeye Name:3,4-bis(2-butyloctyl)benzene-1,2-disulfonic acid
CAS Name:3,4-bis(2-butyloctyl)benzene-1,2-disulfonic acid
IUPAC Name:3,4-bis(2-butyloctyl)benzene-1,2-disulfonic acid
Traditional Name:3,4-bis(2-butyloctyl)benzene-1,2-disulfonic acid
Formula: C30H54O6S2
MolecularWeight: 574.87616
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CCCC)CCCCCC


Isomeric SMILES

CCCCCCC(CCCC)CC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CC(CCCC)CCCCCC


InChI

InChI=1S/C30H54O6S2/c1-5-9-13-15-19-25(17-11-7-3)23-27-21-22-29(37(31,32)33)30(38(34,35)36)28(27)24-26(18-12-8-4)20-16-14-10-6-2/h21-22,25-26H,5-20,23-24H2,1-4H3,(H,31,32,33)(H,34,35,36)


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