4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 3-(2-methoxy-10-phenothiazinyl)-N,N,2-trimethyl-1-propanamine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; [3-(2-methoxyphenothiazin-10-yl)-2-methyl-propyl]-dimethyl-amine Formula: C42H40N2O7S MolecularWeight: 716.8412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C19H24N2OS/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h1-10,24-25H,11H2,(H,26,27)(H,28,29);5-11,14H,12-13H2,1-4H3