1-[4-(1-carboxy-2-sulfo-cyclohexa-2,4-dien-1-yl)-3-methyl-naphthalen-1-yl]-2-sulfo-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-[4-(1-carboxy-2-sulfo-cyclohexa-2,4-dien-1-yl)-3-methyl-naphthalen-1-yl]-2-sulfo-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-[4-(1-carboxy-2-sulfo-cyclohexa-2,4-dien-1-yl)-3-methyl-1-naphthyl]-2-sulfo-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-[4-(1-carboxy-2-sulfo-1-cyclohexa-2,4-dienyl)-3-methyl-1-naphthalenyl]-2-sulfo-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-[4-(1-carboxy-2-sulfocyclohexa-2,4-dien-1-yl)-3-methylnaphthalen-1-yl]-2-sulfocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-[4-(1-carboxy-2-sulfo-cyclohexa-2,4-dien-1-yl)-3-methyl-1-naphthyl]-2-sulfo-cyclohexa-2,4-diene-1-carboxylic acid Formula: C25H22O10S2 MolecularWeight: 546.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)C3(CC=CC=C3S(=O)(=O)O)C(=O)O)C4(CC=CC=C4S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)C3(CC=CC=C3S(=O)(=O)O)C(=O)O)C4(CC=CC=C4S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C25H22O10S2/c1-15-14-18(24(22(26)27)12-6-4-10-19(24)36(30,31)32)16-8-2-3-9-17(16)21(15)25(23(28)29)13-7-5-11-20(25)37(33,34)35/h2-11,14H,12-13H2,1H3,(H,26,27)(H,28,29)(H,30,31,32)(H,33,34,35)