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2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid

2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid

Systemtic Name:2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid
Openeye Name:2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid
CAS Name:2,3-bis(6-methylheptyl)-1-naphthalenesulfonic acid
IUPAC Name:2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid
Traditional Name:2,3-bis(6-methylheptyl)naphthalene-1-sulfonic acid
Formula: C26H40O3S
MolecularWeight: 432.659
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC2=CC=CC=C2C(=C1CCCCCC(C)C)S(=O)(=O)O


Isomeric SMILES

CC(C)CCCCCC1=CC2=CC=CC=C2C(=C1CCCCCC(C)C)S(=O)(=O)O


InChI

InChI=1S/C26H40O3S/c1-20(2)13-7-5-9-15-22-19-23-16-11-12-18-25(23)26(30(27,28)29)24(22)17-10-6-8-14-21(3)4/h11-12,16,18-21H,5-10,13-15,17H2,1-4H3,(H,27,28,29)


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