5-[2-sulfo-3-(5-sulfonaphthalen-1-yl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-sulfo-3-(5-sulfonaphthalen-1-yl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonic acid Openeye Name: 5-[2-sulfo-3-(5-sulfo-1-naphthyl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonic acid CAS Name: 5-[2-sulfo-3-(5-sulfo-1-naphthalenyl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]-2-naphthalenesulfonic acid IUPAC Name: 5-[2-sulfo-3-(5-sulfonaphthalen-1-yl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonic acid Traditional Name: 5-[2-sulfo-3-(5-sulfo-1-naphthyl)-1,4,4a,8a-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonic acid Formula: C30H24O9S3 MolecularWeight: 624.70116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC=CC2C(C(=C1C3=CC=CC4=C3C=CC=C4S(=O)(=O)O)S(=O)(=O)O)C5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

C1C2C=CC=CC2C(C(=C1C3=CC=CC4=C3C=CC=C4S(=O)(=O)O)S(=O)(=O)O)C5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C30H24O9S3/c31-40(32,33)20-14-15-21-18(16-20)7-3-12-26(21)29-22-8-2-1-6-19(22)17-27(30(29)42(37,38)39)24-9-4-11-25-23(24)10-5-13-28(25)41(34,35)36/h1-16,19,22,29H,17H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)