4-[2-[10-[2-(4-sulfophenyl)ethyl]anthracen-9-yl]ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-[10-[2-(4-sulfophenyl)ethyl]anthracen-9-yl]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[10-[2-(4-sulfophenyl)ethyl]-9-anthryl]ethyl]benzenesulfonic acid CAS Name: 4-[2-[10-[2-(4-sulfophenyl)ethyl]-9-anthracenyl]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[10-[2-(4-sulfophenyl)ethyl]anthracen-9-yl]ethyl]benzenesulfonic acid Traditional Name: 4-[2-[10-[2-(4-sulfophenyl)ethyl]-9-anthryl]ethyl]besylic acid Formula: C30H26O6S2 MolecularWeight: 546.65384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCC4=CC=C(C=C4)S(=O)(=O)O)CCC5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCC4=CC=C(C=C4)S(=O)(=O)O)CCC5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C30H26O6S2/c31-37(32,33)23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(18-12-22)38(34,35)36/h1-12,15-18H,13-14,19-20H2,(H,31,32,33)(H,34,35,36)